2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride

C18H26Cl2N4O — CID 120670104

IUPAC2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCCCCNc2ccccn2)cc1.Cl.Cl
InChIInChI=1S/C18H24N4O.2ClH/c1-14-7-9-15(10-8-14)17(19)18(23)22-13-5-4-12-21-16-6-2-3-11-20-16;;/h2-3,6-11,17H,4-5,12-13,19H2,1H3,(H,20,21)(H,22,23);2*1H
InChIKeyDLLHDTJVVJECFU-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.24
Rot. Bonds8

About 2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride

2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride (PubChem CID 120670104) has the molecular formula C18H26Cl2N4O and a molecular weight of 385.34 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride
PubChem CID120670104
Molecular FormulaC18H26Cl2N4O
Molecular Weight385.34 g/mol
Exact Mass384.15
IUPAC Name2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCCCCNc2ccccn2)cc1.Cl.Cl
InChIInChI=1S/C18H24N4O.2ClH/c1-14-7-9-15(10-8-14)17(19)18(23)22-13-5-4-12-21-16-6-2-3-11-20-16;;/h2-3,6-11,17H,4-5,12-13,19H2,1H3,(H,20,21)(H,22,23);2*1H
InChIKeyDLLHDTJVVJECFU-UHFFFAOYSA-N
XLogP3.24
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-anilinopropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669990
3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride
CID 119874678
(2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride
CID 119874722
2-amino-N-[2-(2-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667716
2-amino-N-[3-(benzenesulfonyl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667950
2-amino-2-(4-methylphenyl)-N-(6-methylsulfanylhexyl)acetamide
CID 106312957
2-amino-2-(4-methylphenyl)-N-(5-methylsulfanylpentyl)acetamide
CID 106312958
4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride
CID 119874666
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide
CID 106312735
2-amino-N-[3-(dipropylamino)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669868
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride (CID 120670104) is 2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride is Cc1ccc(C(N)C(=O)NCCCCNc2ccccn2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride?
The InChIKey is DLLHDTJVVJECFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.2ClH/c1-14-7-9-15(10-8-14)17(19)18(23)22-13-5-4-12-21-16-6-2-3-11-20-16;;/h2-3,6-11,17H,4-5,12-13,19H2,1H3,(H,20,21)(H,22,23);2*1H.
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride?
2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of 3.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride is sourced from PubChem (CID 120670104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).